3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide

C18H24N6OS — CID 55903630

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1CC
InChIInChI=1S/C18H24N6OS/c1-5-7-14-15(6-2)26-18(22-14)23-16(25)9-8-13-11(3)21-17-19-10-20-24(17)12(13)4/h10H,5-9H2,1-4H3,(H,22,23,25)
InChIKeyLPDJEUVPMOIMOZ-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.28
Rot. Bonds7

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide (PubChem CID 55903630) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide
PubChem CID55903630
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1CC
InChIInChI=1S/C18H24N6OS/c1-5-7-14-15(6-2)26-18(22-14)23-16(25)9-8-13-11(3)21-17-19-10-20-24(17)12(13)4/h10H,5-9H2,1-4H3,(H,22,23,25)
InChIKeyLPDJEUVPMOIMOZ-UHFFFAOYSA-N
XLogP3.28
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide (CID 55903630) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide is CCCc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1CC.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LPDJEUVPMOIMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-5-7-14-15(6-2)26-18(22-14)23-16(25)9-8-13-11(3)21-17-19-10-20-24(17)12(13)4/h10H,5-9H2,1-4H3,(H,22,23,25).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 372.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55903630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).